SCHEMBL6807437

SCHEMBL6807437

COc1cccc(OC)c1C(=O)Nc1nc(=O)[nH]cc1CC(NC(=O)N(C)C)C(=O)O

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ITGA4 P13612 3/20 0.41
ITGB7 P26010 2/20 0.41
ITGB2 P05107 6/20 0.40
ICAM1 P05362 6/20 0.40
ITGAL P20701 6/20 0.40
KMT2A Q03164 4/20 0.39
MEN1 O00255 3/20 0.39
ALDH1A1 P00352 2/20 0.38
GAA P10253 1/20 0.38
KDM4E B2RXH2 2/20 0.37
MAPT P10636 2/20 0.37
SMN1; SMN2 Q16637 2/20 0.37
HPGD P15428 1/20 0.37
MAPK1 P28482 1/20 0.37
MME P08473 1/20 0.37
ACE P12821 1/20 0.37
ITGB1 P05556 2/20 0.36
POLB P06746 1/20 0.36
ECE1 P42892 1/20 0.36
MMP2 P08253 1/20 0.36

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL6809043 0.92 ITGB2 (0.38) ITGA4ITGB7ITGB2ICAM1ITGAL
SCHEMBL7538530 0.92 ITGB2 (0.48) ITGA4ITGB7ITGB2ICAM1ITGAL
SCHEMBL6808064 0.91 ITGA4 (0.46) ITGA4ITGB7ITGB2ICAM1ITGAL
SCHEMBL6807195 0.87 KMT2A (0.47) ITGA4ITGB7ITGB2ICAM1ITGAL
SCHEMBL7540780 0.87 ITGB2 (0.45) ITGB2ICAM1ITGALKMT2AMEN1
SCHEMBL7544812 0.87 ITGB2 (0.56) ITGA4ITGB7ITGB2ICAM1ITGAL
SCHEMBL7547460 0.87 ITGB2 (0.56) ITGA4ITGB7ITGB2ICAM1ITGAL
SCHEMBL6807935 0.87 ITGB2 (0.46) ITGA4ITGB7ITGB2ICAM1ITGAL
SCHEMBL7539842 0.86 ITGB2 (0.51) ITGA4ITGB7ITGB2ICAM1ITGAL
SCHEMBL7538428 0.86 ITGB2 (0.55) ITGA4ITGB7ITGB2ICAM1ITGAL

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20040039040-A1 Urea derivative and adhesive-molecule inhibitor containing the same as active ingredient TORAY INDUSTRIES, INC. (JP) 2004-02-26 US disclosed
EP-1323709-A1 UREA DERIVATIVE AND ADHESIVE-MOLECULE INHIBITOR CONTAINING THE SAME AS ACTIVE INGREDIENT TORAY INDUSTRIES, INC. (JP) 2003-07-02 EP disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20040039040-A1 Urea derivative and adhesive-molecule inhibitor containing the same as active ingredient ICAM1, VCAM1, EPCAM ITGA4 221/4885ITGB7 122/4885ITGB2 59/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.